6-butan-2-yl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one

Systemtic Name: 6-butan-2-yl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one Openeye Name: 2-phenyl-6-sec-butyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one CAS Name: 6-butan-2-yl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one IUPAC Name: 6-butan-2-yl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one Traditional Name: 2-phenyl-6-sec-butyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=CC=CC=C2NC3=NC(=NC=C3C1=O)C4=CC=CC=C4

Isomeric SMILES

CCC(C)N1C2=CC=CC=C2NC3=NC(=NC=C3C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O/c1-3-14(2)25-18-12-8-7-11-17(18)23-20-16(21(25)26)13-22-19(24-20)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,23,24)